SCHEMBL17907702

SCHEMBL17907702

CC1(C)CN(C(=O)CN2CCC(C(=O)O)CC2)Cc2c1c1cccnc1n2Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 14/20 0.74
P2RY1 P47900 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
EPHX2 P34913 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17907589 0.92 ENPP2 (0.62) ENPP2P2RY1DRD2DRD4PTGDR2
SCHEMBL17907705 0.92 ENPP2 (0.62) ENPP2P2RY1DRD2DRD4EPHX2
SCHEMBL15418109 0.91 ENPP2 (0.61) ENPP2
SCHEMBL15418033 0.90 ENPP2 (0.61) ENPP2
Hydrochloric Acid SCHEMBL17907587 0.88 ENPP2 (0.58) ENPP2P2RY1PTGDR2
SCHEMBL14891582 0.86 ENPP2 (0.54) ENPP2PTGDR2
Hydrochloric Acid SCHEMBL14891444 0.85 ENPP2 (0.54) ENPP2PTGDR2
SCHEMBL12697501 0.85 ENPP2 (1.00) ENPP2
SCHEMBL17907846 0.83 ENPP2 (0.52) ENPP2
SCHEMBL17907667 0.82 ENPP2 (0.51) ENPP2PTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP claimed